N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide

C15H15ClN2O4S — CID 71847210

IUPACN-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O4S/c1-11-10-13(16)6-7-14(11)17-23(21,22)9-8-12-4-2-3-5-15(12)18(19)20/h2-7,10,17H,8-9H2,1H3
InChIKeyIHIAWZHZCWHLRE-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.54
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide

N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide (PubChem CID 71847210) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
PubChem CID71847210
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O4S/c1-11-10-13(16)6-7-14(11)17-23(21,22)9-8-12-4-2-3-5-15(12)18(19)20/h2-7,10,17H,8-9H2,1H3
InChIKeyIHIAWZHZCWHLRE-UHFFFAOYSA-N
XLogP3.54
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 167907178
N-(4-chloro-2-nitrophenyl)ethanesulfonamide
CID 60642818
4-chloro-2-iodo-N-[2-(2-nitrophenyl)ethyl]aniline
CID 107635333
N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75449066
N-[(5-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)methanamine
CID 78998966
1-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 82890343
5-chloro-2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509081
N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 25039055
N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide
CID 110420975
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide
CID 17257593
2,4-dimethyl-5-methylsulfonyl-N-[2-(2-nitrophenyl)ethyl]aniline
CID 142578232

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide (CID 71847210) is N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide?
The InChIKey is IHIAWZHZCWHLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-11-10-13(16)6-7-14(11)17-23(21,22)9-8-12-4-2-3-5-15(12)18(19)20/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide?
N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide has a molecular weight of 354.82 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide is sourced from PubChem (CID 71847210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).